| Index | Thermo H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K) | Structure | Label | SMILES | MW (g/mol) |
|
21. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.00
|
37.01
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
Ar(21) |
[Ar] |
39.35 |
|
22. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.00
|
30.15
|
4.97 |
4.97 |
4.97 |
4.97 |
|
.png) |
He(22) |
[He] |
4.00 |
|
24. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-32.58
|
55.93
|
9.91 |
11.66 |
14.67 |
16.27 |
|
.png) |
H2O2(24) |
OO |
34.01 |
|
26. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
171.34
|
35.58
|
4.97 |
4.97 |
4.97 |
4.97 |
|
(26).png) |
C(T)(26) |
[C] |
12.01 |
|
27. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
142.31
|
43.64
|
6.95 |
6.99 |
7.56 |
8.08 |
|
.png) |
CH(27) |
[CH] |
13.02 |
|
31. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
42.88
|
58.85
|
11.81 |
13.91 |
16.59 |
17.89 |
|
.png) |
HCCO(31) |
[CH]=C=O |
41.03 |
|
32. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
135.60
|
51.43
|
10.20 |
10.92 |
12.27 |
13.17 |
|
.png) |
C2H(32) |
[C]#C |
25.03 |
|
33. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
54.53
|
47.81
|
10.21 |
12.65 |
16.02 |
17.75 |
|
.png) |
C2H2(33) |
C#C |
26.04 |
|
34. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
98.44
|
53.15
|
10.50 |
12.32 |
15.44 |
17.16 |
|
.png) |
H2CC(34) |
[C]=C |
26.04 |
|
36. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-48.23
|
57.40
|
10.90 |
14.31 |
21.11 |
24.82 |
|
.png) |
CH3OH(36) |
CO |
32.04 |
|
38. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-11.68
|
57.63
|
12.32 |
15.53 |
20.04 |
22.45 |
|
.png) |
CH2CO(38) |
C=C=O |
42.04 |
|
39. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
71.03
|
55.86
|
10.48 |
13.78 |
19.03 |
21.78 |
|
.png) |
C2H3(39) |
[CH]=C |
27.05 |
|
44. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-2.27
|
63.74
|
12.05 |
16.03 |
22.78 |
26.14 |
|
.png) |
CH3CO(44) |
C[C]=O |
43.04 |
|
45. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
4.43
|
61.85
|
12.74 |
17.42 |
24.06 |
27.36 |
|
.png) |
CH2CHO(45) |
[CH2]C=O |
43.04 |
|
46. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-39.59
|
62.99
|
12.95 |
17.90 |
26.57 |
30.83 |
|
.png) |
CH3CHO(46) |
CC=O |
44.05 |
|
48. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.08
|
4.55
|
6.41 |
7.19 |
7.51 |
7.64 |
|
.png) |
OX(48) |
[O][Pt] |
16.00 |
|
49. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-40.67
|
16.22
|
12.11 |
16.25 |
22.60 |
25.44 |
|
.png) |
CH3OX(49) |
CO[Pt] |
31.03 |
|
50. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-19.85
|
19.55
|
13.70 |
20.31 |
30.05 |
34.84 |
|
.png) |
C2H5X(50) |
CC[Pt] |
29.06 |
|
51. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-12.38
|
12.30
|
12.46 |
18.36 |
26.40 |
30.29 |
|
.png) |
C2H4X(51) |
CC=[Pt] |
28.05 |
|
54. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-69.80
|
16.44
|
12.04 |
16.65 |
22.58 |
25.37 |
|
.png) |
CH3OX(54) |
OC[Pt] |
31.03 |
|
57. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-55.21
|
16.80
|
9.55 |
11.98 |
15.04 |
16.16 |
|
.png) |
CHOX(57) |
O=C[Pt] |
29.02 |
|
58. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-44.31
|
27.22
|
13.51 |
18.62 |
26.30 |
29.95 |
|
[Pt](58).png) |
C2H3OX(58) |
CC(=O)[Pt] |
43.04 |
|
59. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
31.16
|
-39.51
|
14.38 |
17.77 |
20.55 |
20.07 |
|
.png) |
C2H3OX(59) |
COC#[Pt] |
43.04 |
|
63. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-90.45
|
59.54
|
11.03 |
15.10 |
21.06 |
23.29 |
|
.png) |
CH2O2(63) |
O=CO |
46.03 |
|
65. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-6.70
|
25.29
|
16.98 |
23.29 |
30.40 |
33.75 |
|
=[Pt](65).png) |
C2H4OX(65) |
CC(O)=[Pt] |
44.05 |
|
66. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-70.98
|
18.90
|
14.99 |
21.06 |
23.65 |
24.37 |
|
=[Pt](66).png) |
CH2O2X(66) |
OC(O)=[Pt] |
46.03 |
|
67. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-76.02
|
25.06
|
10.85 |
14.96 |
20.00 |
21.62 |
|
.png) |
CHO2X(67) |
O=CO[Pt] |
45.02 |
|
68. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-86.97
|
33.87
|
14.73 |
21.17 |
32.33 |
36.48 |
|
O[Pt](68).png) |
SX(68) |
CC(=O)O[Pt] |
59.04 |
|
69. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-80.82
|
36.99
|
15.49 |
22.34 |
31.55 |
35.30 |
|
[Pt](69).png) |
SX(69) |
COC(=O)[Pt] |
59.04 |
|
70. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-125.63
|
31.49
|
14.47 |
19.72 |
24.61 |
26.32 |
|
O[Pt](70).png) |
CHO3X(70) |
O=C(O)O[Pt] |
61.02 |
|
71. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-65.16
|
33.49
|
17.48 |
21.76 |
25.32 |
27.13 |
|
OO(71).png) |
CHO3X(71) |
O=C([Pt])OO |
61.02 |
|
72. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-85.60
|
69.00
|
15.39 |
21.88 |
33.00 |
37.28 |
|
.png) |
C2H4O2(72) |
COC=O |
60.05 |
|
73. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-103.26
|
68.23
|
15.56 |
22.40 |
32.90 |
37.41 |
|
.png) |
C2H4O2(73) |
CC(=O)O |
60.05 |
|
74. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-43.80
|
60.25
|
11.24 |
13.94 |
16.88 |
17.95 |
|
.png) |
HOCO(74) |
O=[C]O |
45.02 |
|
75. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.36
|
61.15
|
11.42 |
13.84 |
17.19 |
18.48 |
|
.png) |
CHO2(75) |
[O]C=O |
45.02 |
|
76. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
1.94
|
75.18
|
15.89 |
21.64 |
24.96 |
26.55 |
|
.png) |
CO4(76) |
[O]OO[C]=O |
76.01 |
|
77. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-41.98
|
72.58
|
15.55 |
20.95 |
24.48 |
25.78 |
|
=O(77).png) |
CO4(77) |
[O]OC([O])=O |
76.01 |
|
78. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-47.75
|
82.24
|
20.55 |
24.21 |
28.04 |
27.69 |
|
C([O])=O(78).png) |
C2O4(78) |
[O]C(=O)C([O])=O |
88.02 |
|
79. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-63.26
|
83.35
|
19.75 |
23.60 |
26.48 |
27.19 |
|
O[C]=O(79).png) |
C2O4(79) |
[O]C(=O)O[C]=O |
88.02 |
|
80. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-53.42
|
75.46
|
20.72 |
29.77 |
35.34 |
36.45 |
|
.png) |
C2O4(80) |
O=[C]OO[C]=O |
88.02 |
|
81. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-59.33
|
26.59
|
17.16 |
23.95 |
33.69 |
38.63 |
|
[Pt](81).png) |
C2H5OX(81) |
CC(O)[Pt] |
45.06 |
|
82. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-90.26
|
34.21
|
16.09 |
20.00 |
26.26 |
28.76 |
|
[Pt](82).png) |
CH3O2X(82) |
OC(O)[Pt] |
47.03 |
|
83. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
15.33
|
21.43
|
8.22 |
8.91 |
9.75 |
10.32 |
|
X(83).png) |
OH(D)X(83) |
[OH].[Pt] |
17.01 |
|
85. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-21.94
|
66.22
|
17.81 |
20.52 |
22.07 |
23.43 |
|
.png) |
CHO3(85) |
O=[C]OO |
61.02 |
|
86. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-88.17
|
65.38
|
13.34 |
17.55 |
21.95 |
23.43 |
|
O(86).png) |
CHO3(86) |
[O]C(=O)O |
61.02 |
|
87. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
49.19
|
13.57
|
7.96 |
10.16 |
13.36 |
14.81 |
|
.png) |
CH2X(87) |
[CH2][Pt] |
14.03 |
|
88. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
41.62
|
23.95
|
10.57 |
12.81 |
16.49 |
18.81 |
|
.png) |
CH3X(88) |
[CH3].[Pt] |
15.03 |
|
90. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-37.62
|
70.50
|
15.21 |
20.16 |
28.37 |
31.69 |
|
.png) |
CH3OCO(90) |
CO[C]=O |
59.04 |
|
91. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-44.88
|
67.74
|
14.61 |
20.26 |
28.24 |
31.92 |
|
.png) |
C2H3O2(91) |
CC([O])=O |
59.04 |
|
94. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-3.99
|
18.82
|
7.04 |
7.72 |
10.13 |
11.32 |
|
.png) |
O2X(94) |
[O]O[Pt] |
32.00 |
|
95. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
8.99
|
29.76
|
10.95 |
14.74 |
20.37 |
23.71 |
|
.png) |
CH2O2X(95) |
[O]OC[Pt] |
46.03 |
|
96. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
8.43
|
26.85
|
15.54 |
18.76 |
24.18 |
27.69 |
|
.png) |
CH3O2X(96) |
COO[Pt] |
47.03 |
|
97. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.93
|
57.57
|
14.29 |
18.28 |
25.00 |
28.31 |
|
.png) |
CH3OOX(97) |
CO[O].[Pt] |
47.03 |
|
98. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.69
|
62.98
|
13.42 |
17.67 |
24.88 |
28.69 |
|
.png) |
CH3OOH(98) |
COO |
48.04 |
|
99. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
21.84
|
83.59
|
17.87 |
24.56 |
32.19 |
36.38 |
|
.png) |
CH3O4(99) |
COOO[O] |
79.03 |
|
100. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-18.88
|
77.55
|
19.75 |
26.03 |
34.02 |
37.23 |
|
.png) |
S(100) |
[O]OCC=O |
75.04 |
|
101. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-42.36
|
74.47
|
20.34 |
28.60 |
37.94 |
41.30 |
|
.png) |
S(101) |
COO[C]=O |
75.04 |
|
102. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-76.78
|
81.44
|
22.59 |
32.26 |
40.88 |
44.47 |
|
.png) |
S(102) |
[O]OCOC=O |
91.04 |
|
103. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-82.88
|
84.48
|
22.86 |
30.26 |
39.86 |
43.82 |
|
O(103).png) |
S(103) |
[O]OCC(=O)O |
91.04 |
|
104. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-33.51
|
83.87
|
22.70 |
32.69 |
42.58 |
46.27 |
|
.png) |
S(104) |
COOO[C]=O |
91.04 |
|
105. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-87.56
|
81.27
|
22.37 |
31.99 |
42.12 |
45.49 |
|
=O(105).png) |
S(105) |
COOC([O])=O |
91.04 |
|
106. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-23.10
|
73.97
|
17.53 |
24.00 |
32.50 |
36.48 |
|
.png) |
COOO(106) |
COOO |
64.04 |
|
107. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.14
|
72.22
|
19.43 |
26.82 |
38.95 |
44.77 |
|
.png) |
S(107) |
COOC |
62.07 |
|
108. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-13.61
|
92.28
|
24.68 |
35.59 |
49.85 |
56.08 |
|
.png) |
S(108) |
COOOOC |
94.07 |
|
109. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-6.60
|
6.62
|
9.60 |
13.97 |
18.75 |
20.86 |
|
.png) |
C2H2X(109) |
C=C=[Pt] |
26.04 |
|
110. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-4.52
|
21.96
|
17.86 |
26.14 |
37.96 |
44.07 |
|
=[Pt](110).png) |
C3H6X(110) |
CC(C)=[Pt] |
42.08 |
|
112. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
28.70
|
67.06
|
13.45 |
15.84 |
18.24 |
19.05 |
|
.png) |
CO3t2(112) |
[O]O[C]=O |
60.01 |
|
113. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-11.50
|
64.53
|
12.43 |
15.20 |
18.09 |
19.01 |
|
.png) |
CO3t1(113) |
[O]C([O])=O |
60.01 |
|
114. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.99
|
74.19
|
15.50 |
20.47 |
27.54 |
31.41 |
|
.png) |
CH3O3(114) |
COO[O] |
63.03 |
|
115. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-38.79
|
32.77
|
10.22 |
12.54 |
17.02 |
18.85 |
|
.png) |
CH2OX(115) |
C=O.[Pt] |
30.03 |
|
116. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
59.39
|
73.42
|
15.33 |
19.69 |
24.88 |
27.78 |
|
.png) |
CH2O3(116) |
[CH2]OO[O] |
62.02 |
|
117. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
14.90
|
73.18
|
15.07 |
17.79 |
24.99 |
27.53 |
|
.png) |
CH2O3(117) |
[O]CO[O] |
62.02 |
|
118. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-25.83
|
27.07
|
15.84 |
21.84 |
33.55 |
39.04 |
|
.png) |
SX(118) |
CCO[Pt] |
45.06 |
|
119. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-45.22
|
25.72
|
16.44 |
23.36 |
33.77 |
38.84 |
|
.png) |
SX(119) |
COC[Pt] |
45.06 |
|
120. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-75.89
|
31.01
|
14.79 |
19.47 |
27.22 |
29.59 |
|
.png) |
SX(120) |
OCO[Pt] |
47.03 |
|
121. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-27.11
|
29.54
|
12.97 |
18.28 |
25.32 |
28.79 |
|
.png) |
SX(121) |
OOC[Pt] |
47.03 |
|
122. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-24.93
|
78.00
|
16.73 |
21.91 |
30.72 |
34.34 |
|
=O(122).png) |
S(122) |
[O]CC([O])=O |
74.04 |
|
123. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-34.77
|
75.17
|
18.46 |
24.55 |
30.93 |
33.04 |
|
=O(123).png) |
S(123) |
[CH2]OC([O])=O |
74.04 |
|
124. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.42
|
73.96
|
17.92 |
24.55 |
32.63 |
35.28 |
|
.png) |
S(124) |
[O]CO[C]=O |
74.04 |
|
125. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
3.87
|
73.65
|
20.04 |
27.78 |
35.27 |
37.70 |
|
.png) |
S(125) |
[CH2]OO[C]=O |
74.04 |
|
126. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-40.56
|
64.47
|
13.23 |
18.08 |
24.00 |
26.87 |
|
.png) |
CH3O2(126) |
[O]CO |
47.03 |
|
127. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.77
|
67.32
|
15.48 |
20.98 |
30.46 |
35.01 |
|
.png) |
C2H5O(127) |
[CH2]OC |
45.06 |
|
128. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-3.06
|
66.84
|
15.77 |
21.60 |
31.21 |
35.96 |
|
.png) |
C2H5O(128) |
CC[O] |
45.06 |
|
129. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
23.94
|
82.11
|
22.16 |
30.72 |
42.61 |
47.47 |
|
.png) |
S(129) |
[CH2]OOOC |
77.06 |
|
130. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.25
|
81.27
|
22.64 |
30.51 |
41.38 |
46.38 |
|
.png) |
S(130) |
COOC[O] |
77.06 |
|
131. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
15.68
|
63.72
|
10.62 |
13.06 |
20.96 |
23.48 |
|
.png) |
CH2O2(131) |
[O]C[O] |
46.03 |
|
132. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.14
|
78.34
|
17.07 |
21.09 |
31.72 |
36.46 |
|
.png) |
S(132) |
[O]CC[O] |
60.05 |
|
133. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.57
|
73.43
|
17.83 |
24.58 |
33.44 |
37.07 |
|
.png) |
S(133) |
[CH2]OC[O] |
60.05 |
|
134. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
63.33
|
70.60
|
18.83 |
25.17 |
33.58 |
37.56 |
|
.png) |
S(134) |
[CH2]OO[CH2] |
60.05 |
|
135. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-0.37
|
61.56
|
16.10 |
22.22 |
33.04 |
37.97 |
|
.png) |
S(135) |
C1COO1 |
60.05 |
|
136. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-53.20
|
54.05
|
15.73 |
28.46 |
35.73 |
39.67 |
|
.png) |
S(136) |
C1OCO1 |
60.05 |
|
137. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
79.54
|
63.43
|
13.17 |
15.55 |
18.11 |
19.24 |
|
.png) |
CH2O2(137) |
[CH]OO |
46.03 |
|
138. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.34
|
58.81
|
10.12 |
12.41 |
15.05 |
16.83 |
|
.png) |
CH2O(138) |
[CH2][O] |
30.03 |
|
139. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
10.88
|
24.92
|
11.25 |
14.59 |
17.71 |
19.72 |
|
.png) |
CH2OX(139) |
[CH2]O[Pt] |
30.03 |
|
140. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
14.75
|
28.60
|
12.47 |
15.56 |
19.92 |
22.84 |
|
.png) |
SX(140) |
[CH2]OO[Pt] |
46.03 |
|
141. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
36.32
|
30.70
|
12.78 |
16.89 |
21.22 |
23.00 |
|
.png) |
SX(141) |
OO[CH][Pt] |
46.03 |
|
142. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.59
|
39.74
|
14.10 |
18.39 |
24.04 |
27.02 |
|
.png) |
SX(142) |
[CH2]OO.[Pt] |
47.03 |
|
143. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-23.44
|
77.24
|
22.82 |
30.64 |
36.07 |
38.69 |
|
.png) |
CH3O4(143) |
[O]OCOO |
79.03 |
|
144. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-43.26
|
74.68
|
19.49 |
28.58 |
38.51 |
41.74 |
|
.png) |
S(144) |
[CH2]OOC=O |
75.04 |
|
145. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-17.75
|
79.32
|
22.26 |
28.48 |
34.77 |
37.38 |
|
.png) |
S(145) |
O=[C]COO |
75.04 |
|
146. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-65.75
|
80.19
|
25.17 |
34.99 |
42.61 |
45.49 |
|
.png) |
S(146) |
O=[C]OCOO |
91.04 |
|
147. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-65.22
|
83.79
|
22.97 |
30.40 |
41.43 |
45.19 |
|
COO(147).png) |
S(147) |
[O]C(=O)COO |
91.04 |
|
148. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-75.31
|
72.77
|
19.83 |
25.90 |
33.16 |
36.12 |
|
.png) |
CH4O3(148) |
OCOO |
64.04 |
|
149. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-38.53
|
75.15
|
19.95 |
27.68 |
39.22 |
44.75 |
|
.png) |
S(149) |
CCOO |
62.07 |
|
150. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-58.89
|
85.93
|
29.63 |
41.68 |
53.71 |
58.40 |
|
.png) |
S(150) |
COOCOO |
94.07 |
|
151. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-21.54
|
72.64
|
19.05 |
23.78 |
29.15 |
31.88 |
|
.png) |
CH3O3(151) |
[O]COO |
63.03 |
|
152. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.76
|
79.66
|
25.07 |
35.02 |
43.43 |
47.29 |
|
.png) |
S(152) |
[CH2]OCOO |
77.06 |
|
153. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-23.83
|
85.23
|
23.57 |
30.30 |
41.96 |
46.91 |
|
.png) |
S(153) |
[O]CCOO |
77.06 |
|
154. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-59.80
|
89.36
|
30.07 |
39.55 |
52.17 |
57.38 |
|
.png) |
S(154) |
OOCCOO |
94.07 |
|
155. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.32
|
32.15
|
9.62 |
11.35 |
13.75 |
14.89 |
|
.png) |
HO2X(155) |
[O]O.[Pt] |
33.01 |
|
156. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
21.20
|
74.68
|
13.08 |
17.04 |
19.54 |
21.72 |
|
.png) |
HO4(156) |
[O]OOO |
65.01 |
|
158. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-100.03
|
72.53
|
17.61 |
24.79 |
29.45 |
30.91 |
|
O(158).png) |
CHO4(158) |
[O]OC(=O)O |
77.02 |
|
159. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-34.16
|
74.96
|
17.91 |
25.17 |
29.91 |
31.62 |
|
.png) |
CHO4(159) |
O=[C]OOO |
77.02 |
|
160. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-88.21
|
72.36
|
17.58 |
24.48 |
29.44 |
30.85 |
|
OO(160).png) |
CHO4(160) |
[O]C(=O)OO |
77.02 |
|
161. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-23.75
|
63.68
|
12.74 |
16.49 |
19.82 |
21.83 |
|
.png) |
OOO(161) |
OOO |
50.01 |
|
162. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-14.25
|
83.37
|
19.89 |
28.09 |
37.14 |
41.45 |
|
.png) |
COOOO(162) |
COOOO |
80.04 |
|
163. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.35
|
65.28
|
10.72 |
12.96 |
14.88 |
16.76 |
|
.png) |
HO3(163) |
[O]OO |
49.01 |
|
164. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-39.48
|
72.46
|
17.65 |
22.56 |
28.75 |
31.50 |
|
.png) |
CH3O3(164) |
[O]OCO |
63.03 |
|
165. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
23.29
|
73.20
|
17.35 |
23.22 |
29.84 |
32.85 |
|
.png) |
CH3O3(165) |
[CH2]OOO |
63.03 |
|
166. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-59.53
|
75.64
|
24.84 |
34.17 |
41.03 |
43.76 |
|
.png) |
OOCOO(166) |
OOCOO |
80.04 |
|
167. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-14.90
|
74.46
|
15.10 |
20.57 |
24.48 |
26.80 |
|
.png) |
OOOO(167) |
OOOO |
66.01 |
|
168. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.54
|
49.02
|
7.02 |
7.43 |
8.35 |
8.73 |
|
(168).png) |
O2(S)(168) |
O=O |
32.00 |
|
169. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-25.12
|
31.39
|
11.85 |
15.13 |
17.54 |
19.65 |
|
.png) |
HO3X(169) |
OOO[Pt] |
49.01 |
|
170. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-9.13
|
20.73
|
12.04 |
16.85 |
20.91 |
22.82 |
|
.png) |
SX(170) |
OOC=[Pt] |
46.03 |
|
171. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-63.07
|
39.35
|
14.88 |
17.92 |
22.60 |
24.08 |
|
.png) |
CHO3X(171) |
OOOC#[Pt] |
61.02 |
|
172. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-53.75
|
28.34
|
18.43 |
25.11 |
29.12 |
30.28 |
|
=[Pt](172).png) |
SX(172) |
OOC(O)=[Pt] |
62.02 |
|
173. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-125.67
|
38.47
|
18.71 |
26.65 |
32.10 |
33.74 |
|
O[Pt](173).png) |
CHO4X(173) |
O=C(OO)O[Pt] |
77.02 |
|
174. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-77.38
|
42.23
|
17.52 |
26.52 |
33.02 |
35.39 |
|
OOO(174).png) |
CHO4X(174) |
O=C([Pt])OOO |
77.02 |
|
175. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-73.03
|
43.65
|
19.54 |
24.04 |
31.74 |
34.66 |
|
[Pt](175).png) |
SX(175) |
OOC(O)[Pt] |
63.03 |
|
176. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-16.97
|
30.72
|
18.57 |
26.87 |
35.21 |
38.90 |
|
OO(176).png) |
SX(176) |
CC(=[Pt])OO |
60.05 |
|
177. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-58.66
|
39.07
|
18.05 |
23.65 |
32.53 |
35.55 |
|
.png) |
SX(177) |
OOCO[Pt] |
63.03 |
|
178. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-19.93
|
40.47
|
16.96 |
24.57 |
32.95 |
36.61 |
|
.png) |
SX(178) |
OOOC[Pt] |
63.03 |
|
179. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
5.12
|
26.08
|
9.72 |
13.77 |
18.16 |
20.59 |
|
.png) |
CH2OX(179) |
[O]C[Pt] |
30.03 |
|
180. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
11.33
|
31.94
|
11.16 |
15.17 |
21.46 |
24.51 |
|
.png) |
CH3OX(180) |
C[O].[Pt] |
31.03 |
|
181. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-18.26
|
70.09
|
15.73 |
21.72 |
29.31 |
32.63 |
|
.png) |
S(181) |
[O]CC=O |
59.04 |
|
182. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-76.55
|
74.99
|
17.37 |
25.36 |
35.86 |
39.33 |
|
.png) |
S(182) |
[O]COC=O |
75.04 |
|
183. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-78.68
|
78.47
|
18.84 |
25.15 |
34.22 |
38.03 |
|
O(183).png) |
S(183) |
[O]CC(=O)O |
75.04 |
|
184. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-83.36
|
74.55
|
17.52 |
24.13 |
33.67 |
37.42 |
|
=O(184).png) |
S(184) |
COC([O])=O |
75.04 |
|
185. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-43.92
|
63.86
|
15.73 |
22.01 |
33.57 |
39.31 |
|
.png) |
DME(185) |
COC |
46.07 |
|
186. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-22.46
|
81.50
|
22.34 |
31.50 |
45.28 |
51.09 |
|
.png) |
COOOC(186) |
COOOC |
78.07 |
|
187. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
17.09
|
71.41
|
19.13 |
25.99 |
36.28 |
41.16 |
|
.png) |
S(187) |
[CH2]OOC |
61.06 |
|
188. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.16
|
74.16
|
17.39 |
24.59 |
35.59 |
40.71 |
|
.png) |
S(188) |
COC[O] |
61.06 |
|
189. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-71.65
|
78.07
|
25.22 |
35.84 |
46.60 |
51.63 |
|
.png) |
COCOO(189) |
COCOO |
78.07 |
|
190. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-67.87
|
27.23
|
19.30 |
29.22 |
35.70 |
39.13 |
|
=[Pt](190).png) |
SX(190) |
COC(O)=[Pt] |
60.05 |
|
191. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-95.81
|
39.14
|
15.35 |
22.79 |
32.59 |
36.59 |
|
C[Pt](191).png) |
SX(191) |
O=C(O)C[Pt] |
59.04 |
|
192. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-84.83
|
27.72
|
13.60 |
21.04 |
29.28 |
32.65 |
|
C=[Pt](192).png) |
SX(192) |
O=C(O)C=[Pt] |
58.04 |
|
193. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-107.76
|
28.26
|
15.67 |
20.98 |
24.52 |
25.95 |
|
C%23[Pt](193).png) |
SX(193) |
O=C(O)C#[Pt] |
57.03 |
|
194. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-146.22
|
63.94
|
15.40 |
21.39 |
26.91 |
28.57 |
|
O(194).png) |
CH2O3(194) |
O=C(O)O |
62.02 |
|
195. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-115.23
|
37.15
|
18.82 |
24.85 |
31.19 |
32.91 |
|
C(=O)[Pt](195).png) |
SX(195) |
O=C(O)C(=O)[Pt] |
73.03 |
|
196. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
1.52
|
15.02
|
18.54 |
20.54 |
24.54 |
25.82 |
|
OC%23[Pt](196).png) |
SX(196) |
O=C(O)OC#[Pt] |
73.03 |
|
197. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-92.31
|
37.14
|
24.48 |
31.38 |
35.05 |
36.69 |
|
C(O)=[Pt](197).png) |
SX(197) |
O=C(O)C(O)=[Pt] |
74.04 |
|
198. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-147.72
|
47.28
|
22.36 |
28.89 |
35.63 |
36.78 |
|
C(=O)O[Pt](198).png) |
SX(198) |
O=C(O)C(=O)O[Pt] |
89.03 |
|
199. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-164.54
|
50.57
|
21.42 |
28.76 |
34.61 |
36.06 |
|
OC(=O)[Pt](199).png) |
SX(199) |
O=C(O)OC(=O)[Pt] |
89.03 |
|
200. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-149.83
|
36.79
|
20.97 |
28.75 |
38.76 |
42.71 |
|
C(O)[Pt](200).png) |
SX(200) |
O=C(O)C(O)[Pt] |
75.04 |
|
201. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-87.20
|
34.11
|
22.20 |
30.48 |
42.23 |
46.98 |
|
C(=O)O(201).png) |
SX(201) |
CC(=[Pt])C(=O)O |
72.06 |
|
202. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-101.84
|
37.86
|
20.94 |
27.90 |
37.48 |
41.57 |
|
CO[Pt](202).png) |
SX(202) |
O=C(O)CO[Pt] |
75.04 |
|
203. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-139.02
|
34.02
|
21.37 |
30.56 |
39.31 |
42.04 |
|
OC[Pt](203).png) |
SX(203) |
O=C(O)OC[Pt] |
75.04 |
|
204. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-146.26
|
72.31
|
19.63 |
28.32 |
34.40 |
35.99 |
|
OO(204).png) |
CH2O4(204) |
O=C(O)OO |
78.02 |
|
205. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-46.90
|
35.57
|
21.29 |
31.63 |
34.79 |
36.22 |
|
=[Pt](205).png) |
SX(205) |
OOOC(O)=[Pt] |
78.02 |
|
206. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-172.75
|
77.35
|
21.96 |
29.10 |
37.94 |
40.05 |
|
C(=O)O(206).png) |
S(206) |
O=C(O)C(=O)O |
90.03 |
|
207. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-165.22
|
36.09
|
23.33 |
35.61 |
40.85 |
42.32 |
|
OC(O)=[Pt](207).png) |
SX(207) |
O=C(O)OC(O)=[Pt] |
90.03 |
|
208. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
51.83
|
58.32
|
10.19 |
12.15 |
14.94 |
16.48 |
|
(208).png) |
CH2O(208) |
[CH]O |
30.03 |
|
209. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
10.11
|
24.84
|
10.09 |
13.68 |
18.29 |
20.18 |
|
.png) |
CH2OX(209) |
O[CH][Pt] |
30.03 |
|
210. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
2.63
|
35.65
|
12.71 |
16.23 |
21.12 |
23.55 |
|
.png) |
CH3OX(210) |
[CH2]O.[Pt] |
31.03 |
|
211. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-37.26
|
70.12
|
17.12 |
22.82 |
30.65 |
33.22 |
|
.png) |
S(211) |
[CH2]OC=O |
59.04 |
|
212. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-39.14
|
69.86
|
16.77 |
23.56 |
30.21 |
32.60 |
|
.png) |
S(212) |
O=[C]CO |
59.04 |
|
213. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-83.53
|
73.77
|
20.62 |
29.20 |
35.65 |
38.86 |
|
.png) |
S(213) |
O=[C]OCO |
75.04 |
|
214. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-83.01
|
77.37
|
18.37 |
24.61 |
34.57 |
38.53 |
|
CO(214).png) |
S(214) |
[O]C(=O)CO |
75.04 |
|
215. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-92.54
|
63.33
|
16.35 |
21.99 |
27.79 |
30.20 |
|
.png) |
CH4O2(215) |
OCO |
48.04 |
|
216. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-56.42
|
66.77
|
15.65 |
22.50 |
33.51 |
39.25 |
|
.png) |
C2H6O(216) |
CCO |
46.07 |
|
217. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-76.67
|
79.51
|
25.08 |
35.89 |
46.73 |
51.77 |
|
.png) |
COOCO(217) |
COOCO |
78.07 |
|
218. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-42.70
|
74.40
|
22.72 |
28.49 |
36.01 |
40.09 |
|
.png) |
S(218) |
[CH2]OCO |
61.06 |
|
219. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-39.26
|
71.45
|
21.05 |
29.00 |
36.70 |
41.29 |
|
.png) |
S(219) |
[O]CCO |
61.06 |
|
220. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-77.58
|
84.32
|
25.53 |
33.74 |
45.24 |
50.72 |
|
.png) |
OCCOO(220) |
OCCOO |
78.07 |
|
221. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-89.44
|
71.66
|
20.68 |
30.05 |
39.64 |
45.00 |
|
.png) |
COCO(221) |
COCO |
62.07 |
|
222. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-95.36
|
76.52
|
20.99 |
27.90 |
38.33 |
44.05 |
|
.png) |
OCCO(222) |
OCCO |
62.07 |
|
223. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-37.97
|
31.21
|
23.47 |
33.35 |
37.08 |
37.90 |
|
OO(223).png) |
SX(223) |
OOC(=[Pt])OO |
78.02 |
|
224. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-97.41
|
39.83
|
23.55 |
32.88 |
40.95 |
42.99 |
|
C(=[Pt])OO(224).png) |
SX(224) |
O=C(O)C(=[Pt])OO |
90.03 |
|
225. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
107.13
|
55.40
|
7.65 |
6.91 |
7.50 |
7.62 |
|
.png) |
CO(225) |
[C]=O |
28.01 |
|
226. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
63.90
|
22.67
|
7.26 |
8.27 |
10.65 |
11.38 |
|
.png) |
COX(226) |
O=[C][Pt] |
28.01 |
|
227. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
16.49
|
29.68
|
9.51 |
11.16 |
13.81 |
15.09 |
|
.png) |
HCOX(227) |
[CH]=O.[Pt] |
29.02 |
|
228. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
3.15
|
34.71
|
15.47 |
20.58 |
29.64 |
33.90 |
|
.png) |
SX(228) |
C[CH]O[Pt] |
44.05 |
|
229. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
23.09
|
32.96
|
15.08 |
21.24 |
29.87 |
33.64 |
|
.png) |
SX(229) |
CO[CH][Pt] |
44.05 |
|
230. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.39
|
34.62
|
14.92 |
16.17 |
22.74 |
24.31 |
|
.png) |
SX(230) |
O[CH]O[Pt] |
46.03 |
|
231. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-14.90
|
67.19
|
13.83 |
17.08 |
21.58 |
23.43 |
|
.png) |
OCHCO(231) |
O=[C]C=O |
57.03 |
|
232. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-65.20
|
77.58
|
17.16 |
21.03 |
25.51 |
27.06 |
|
.png) |
C2HO3(232) |
O=[C]OC=O |
73.03 |
|
233. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-48.92
|
75.39
|
17.33 |
21.57 |
26.81 |
28.06 |
|
C=O(233).png) |
C2HO3(233) |
[O]C(=O)C=O |
73.03 |
|
234. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-89.49
|
75.50
|
19.79 |
29.40 |
41.18 |
45.35 |
|
.png) |
S(234) |
COOC=O |
76.05 |
|
235. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-55.93
|
78.67
|
21.69 |
29.08 |
38.83 |
42.49 |
|
.png) |
S(235) |
O=CCOO |
76.05 |
|
236. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-69.07
|
67.24
|
17.25 |
21.33 |
25.28 |
27.50 |
|
.png) |
CH2O3(236) |
O=COO |
62.02 |
|
237. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-13.16
|
42.68
|
18.36 |
20.23 |
28.21 |
30.22 |
|
.png) |
SX(237) |
OO[CH]O[Pt] |
62.02 |
|
238. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
43.91
|
41.69
|
16.88 |
23.23 |
28.85 |
30.79 |
|
.png) |
SX(238) |
OOO[CH][Pt] |
62.02 |
|
239. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-93.00
|
37.41
|
22.92 |
31.02 |
35.02 |
37.27 |
|
[CH]O[Pt](239).png) |
SX(239) |
O=C(O)[CH]O[Pt] |
74.04 |
|
240. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-74.41
|
42.22
|
18.92 |
27.20 |
34.93 |
36.89 |
|
O[CH][Pt](240).png) |
SX(240) |
O=C(O)O[CH][Pt] |
74.04 |
|
241. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-76.04
|
68.74
|
17.61 |
25.51 |
33.91 |
37.24 |
|
.png) |
S(241) |
O=CCO |
60.05 |
|
242. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-50.92
|
64.55
|
14.42 |
19.36 |
26.03 |
28.14 |
|
.png) |
S(242) |
O=CC=O |
58.04 |
|
243. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
53.62
|
62.79
|
12.58 |
19.20 |
24.30 |
26.03 |
|
.png) |
CHO3(243) |
[CH]1OOO1 |
61.02 |
|
244. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
7.80
|
67.54
|
10.94 |
13.76 |
21.00 |
24.48 |
|
.png) |
CHO3(244) |
[O]C1OO1 |
61.02 |
|
245. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-18.94
|
33.71
|
15.41 |
18.27 |
20.27 |
22.10 |
|
[Pt](245).png) |
CO3X(245) |
[O]OC(=O)[Pt] |
60.01 |
|
246. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-19.82
|
31.11
|
19.37 |
22.40 |
24.60 |
26.49 |
|
.png) |
CHO3X(246) |
O=COO[Pt] |
61.02 |
|
247. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-31.16
|
33.05
|
14.82 |
20.01 |
24.39 |
25.91 |
|
.png) |
CHO3X(247) |
[O]OC=O.[Pt] |
61.02 |
|
248. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.29
|
76.60
|
17.92 |
19.14 |
23.71 |
25.80 |
|
.png) |
CH2O3(248) |
[O]O[CH]O |
62.02 |
|
249. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
67.02
|
90.46
|
23.31 |
27.92 |
31.40 |
33.30 |
|
.png) |
CHO5(249) |
[O]O[CH]OO[O] |
93.02 |
|
250. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.19
|
91.25
|
20.46 |
22.05 |
30.38 |
32.25 |
|
O[O](250).png) |
CHO5(250) |
[O]OC([O])O[O] |
93.02 |
|
251. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-36.34
|
85.61
|
17.70 |
26.52 |
32.84 |
35.56 |
|
.png) |
CHO5(251) |
[O]OOOC=O |
93.02 |
|
252. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.00
|
51.09
|
22.16 |
29.05 |
39.79 |
44.46 |
|
O[Pt](252).png) |
SX(252) |
CC(O[O])O[Pt] |
76.05 |
|
253. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-33.27
|
49.17
|
22.92 |
30.43 |
40.36 |
45.06 |
|
O[O](253).png) |
SX(253) |
COC([Pt])O[O] |
76.05 |
|
254. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-22.57
|
39.29
|
16.20 |
19.97 |
27.64 |
30.42 |
|
.png) |
SX(254) |
[O]OCO[Pt] |
62.02 |
|
255. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-36.93
|
43.87
|
17.52 |
20.50 |
26.82 |
29.57 |
|
[Pt](255).png) |
SX(255) |
[O]OC(O)[Pt] |
62.02 |
|
256. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-69.16
|
52.10
|
19.07 |
21.96 |
31.03 |
33.58 |
|
O[Pt](256).png) |
SX(256) |
[O]OC(O)O[Pt] |
78.02 |
|
257. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-21.15
|
48.11
|
22.56 |
28.74 |
34.80 |
37.18 |
|
OO(257).png) |
SX(257) |
[O]OC([Pt])OO |
78.02 |
|
258. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-100.55
|
76.48
|
20.17 |
30.57 |
38.57 |
40.50 |
|
.png) |
C2HO4(258) |
O=[C]OOC=O |
89.03 |
|
259. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-21.80
|
96.36
|
22.76 |
27.96 |
37.04 |
39.92 |
|
C([O])=O(259).png) |
C2HO5(259) |
[O]OC([O])C([O])=O |
105.03 |
|
260. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.34
|
90.82
|
25.30 |
31.64 |
37.39 |
39.37 |
|
=O(260).png) |
C2HO5(260) |
[O]O[CH]OC([O])=O |
105.03 |
|
261. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-20.12
|
95.58
|
22.80 |
26.41 |
36.88 |
39.07 |
|
O[C]=O(261).png) |
C2HO5(261) |
[O]OC([O])O[C]=O |
105.03 |
|
262. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
11.66
|
90.74
|
28.14 |
36.05 |
41.81 |
43.19 |
|
.png) |
C2HO5(262) |
[O]O[CH]OO[C]=O |
105.03 |
|
263. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-91.70
|
85.88
|
22.54 |
34.65 |
43.22 |
45.46 |
|
.png) |
C2HO5(263) |
O=[C]OOOC=O |
105.03 |
|
264. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-145.75
|
83.29
|
22.20 |
33.96 |
42.76 |
44.69 |
|
OOC=O(264).png) |
C2HO5(264) |
[O]C(=O)OOC=O |
105.03 |
|
265. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.07
|
80.84
|
22.96 |
27.38 |
31.68 |
33.42 |
|
.png) |
CH2O4(265) |
[O]O[CH]OO |
78.02 |
|
266. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-31.69
|
85.99
|
17.94 |
19.78 |
28.37 |
30.69 |
|
O(266).png) |
CH2O4(266) |
[O]OC([O])O |
78.02 |
|
267. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-81.29
|
75.99
|
17.36 |
25.97 |
33.14 |
35.67 |
|
.png) |
CH2O4(267) |
O=COOO |
78.02 |
|
268. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.95
|
81.90
|
23.33 |
29.06 |
37.24 |
41.30 |
|
.png) |
S(268) |
CO[CH]O[O] |
76.05 |
|
269. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
2.47
|
84.98
|
21.03 |
26.85 |
37.15 |
41.56 |
|
O[O](269).png) |
S(269) |
CC([O])O[O] |
76.05 |
|
270. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
31.57
|
99.15
|
30.09 |
39.05 |
48.93 |
53.08 |
|
.png) |
S(270) |
COOO[CH]O[O] |
108.05 |
|
271. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-13.26
|
101.32
|
27.26 |
33.12 |
47.94 |
52.00 |
|
O[O](271).png) |
S(271) |
COOC([O])O[O] |
108.05 |
|
272. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-71.79
|
94.30
|
24.51 |
37.57 |
50.46 |
55.28 |
|
.png) |
S(272) |
COOOOC=O |
108.05 |
|
273. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-45.19
|
76.21
|
15.34 |
22.44 |
28.19 |
30.60 |
|
.png) |
CHO4(273) |
[O]OOC=O |
77.02 |
|
274. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
58.17
|
79.69
|
20.94 |
23.84 |
26.74 |
28.34 |
|
.png) |
CHO4(274) |
[O]O[CH]O[O] |
77.02 |
|
275. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.42
|
84.81
|
15.23 |
15.15 |
25.27 |
27.13 |
|
[O](275).png) |
CHO4(275) |
[O]OC([O])[O] |
77.02 |
|
276. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.74
|
96.62
|
23.37 |
28.03 |
38.36 |
42.19 |
|
O[O](276).png) |
S(276) |
[O]CC([O])O[O] |
91.04 |
|
277. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.70
|
88.12
|
25.75 |
32.92 |
40.37 |
43.36 |
|
.png) |
S(277) |
[O]CO[CH]O[O] |
91.04 |
|
278. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.87
|
95.05
|
22.71 |
26.44 |
37.72 |
40.86 |
|
O[O](278).png) |
S(278) |
[CH2]OC([O])O[O] |
91.04 |
|
279. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
68.95
|
88.94
|
27.45 |
34.09 |
41.65 |
44.48 |
|
.png) |
S(279) |
[CH2]OO[CH]O[O] |
91.04 |
|
280. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.23
|
78.46
|
22.41 |
29.19 |
39.50 |
43.78 |
|
.png) |
S(280) |
[O]OC1COO1 |
91.04 |
|
281. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-43.90
|
77.05
|
20.64 |
30.27 |
40.14 |
43.41 |
|
.png) |
S(281) |
[O]OC1OCO1 |
91.04 |
|
282. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-34.25
|
84.13
|
21.98 |
32.70 |
43.16 |
46.69 |
|
.png) |
S(282) |
[CH2]OOOC=O |
91.04 |
|
283. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-80.75
|
81.72
|
22.22 |
33.22 |
44.34 |
47.39 |
|
.png) |
S(283) |
[O]COOC=O |
91.04 |
|
284. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-17.63
|
94.35
|
33.08 |
43.18 |
50.61 |
53.47 |
|
.png) |
S(284) |
[O]O[CH]OCOO |
108.05 |
|
285. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-17.23
|
102.13
|
29.88 |
37.23 |
48.60 |
52.63 |
|
COO(285).png) |
S(285) |
[O]OC([O])COO |
108.05 |
|
286. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-117.07
|
87.94
|
29.47 |
43.65 |
54.34 |
57.60 |
|
.png) |
S(286) |
O=COOCOO |
108.05 |
|
287. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-31.92
|
91.06
|
23.18 |
26.68 |
33.48 |
35.80 |
|
O[O](287).png) |
CH2O5(287) |
[O]OC(O)O[O] |
94.02 |
|
288. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
30.92
|
90.24
|
25.32 |
31.47 |
36.33 |
38.39 |
|
.png) |
CH2O5(288) |
[O]O[CH]OOO |
94.02 |
|
289. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-13.91
|
92.41
|
22.48 |
25.59 |
35.31 |
37.33 |
|
OO(289).png) |
CH2O5(289) |
[O]OC([O])OO |
94.02 |
|
290. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-72.44
|
85.39
|
19.73 |
30.05 |
37.79 |
40.64 |
|
.png) |
CH2O5(290) |
O=COOOO |
94.02 |
|
291. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-51.37
|
58.52
|
23.61 |
27.76 |
37.97 |
40.22 |
|
O[Pt](291).png) |
SX(291) |
[O]OC(OO)O[Pt] |
94.02 |
|
292. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-12.30
|
57.51
|
25.00 |
32.70 |
39.63 |
42.08 |
|
OOO(292).png) |
SX(292) |
[O]OC([Pt])OOO |
94.02 |
|
293. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
22.72
|
89.75
|
27.74 |
34.92 |
44.30 |
48.09 |
|
.png) |
S(293) |
COO[CH]O[O] |
92.05 |
|
294. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.02
|
93.47
|
22.86 |
27.26 |
40.88 |
45.21 |
|
O[O](294).png) |
S(294) |
COC([O])O[O] |
92.05 |
|
295. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-80.64
|
84.90
|
22.15 |
33.49 |
45.81 |
50.32 |
|
.png) |
S(295) |
COOOC=O |
92.05 |
|
296. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-113.02
|
62.93
|
25.84 |
33.60 |
42.97 |
46.63 |
|
C(=O)O(296).png) |
SX(296) |
[O]OC(O[Pt])C(=O)O |
106.03 |
|
297. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-130.62
|
58.04
|
26.98 |
36.77 |
45.56 |
48.22 |
|
OC(=O)O(297).png) |
SX(297) |
[O]OC([Pt])OC(=O)O |
106.03 |
|
298. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.41
|
87.93
|
28.58 |
37.30 |
43.76 |
46.79 |
|
.png) |
S(298) |
[O]O[CH]OCO |
92.05 |
|
299. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.02
|
95.71
|
25.33 |
31.42 |
41.66 |
45.98 |
|
CO(299).png) |
S(299) |
[O]OC([O])CO |
92.05 |
|
300. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-134.86
|
81.52
|
24.92 |
37.86 |
47.38 |
50.96 |
|
.png) |
S(300) |
O=COOCO |
92.05 |
|
301. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-31.28
|
85.05
|
22.71 |
29.07 |
36.42 |
39.24 |
|
.png) |
S(301) |
[O]O[CH]OC=O |
90.03 |
|
302. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-12.50
|
91.24
|
21.50 |
26.70 |
34.25 |
37.35 |
|
C=O(302).png) |
S(302) |
[O]OC([O])C=O |
90.03 |
|
303. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-147.68
|
77.51
|
19.62 |
31.37 |
41.81 |
44.55 |
|
.png) |
S(303) |
O=COOC=O |
90.03 |
|
304. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
25.33
|
112.14
|
29.67 |
34.96 |
44.99 |
47.91 |
|
C([O])O[O](304).png) |
S(304) |
[O]OC([O])C([O])O[O] |
122.03 |
|
305. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
28.00
|
109.74
|
30.67 |
34.70 |
44.76 |
47.09 |
|
O[O](305).png) |
S(305) |
[O]O[CH]OC([O])O[O] |
122.03 |
|
306. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
76.74
|
106.03
|
35.55 |
42.35 |
48.19 |
49.97 |
|
.png) |
S(306) |
[O]O[CH]OO[CH]O[O] |
122.03 |
|
307. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.82
|
92.60
|
28.67 |
36.13 |
46.15 |
49.48 |
|
.png) |
S(307) |
[O]OC1OOC1O[O] |
122.03 |
|
308. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-34.60
|
94.54
|
24.75 |
32.52 |
44.28 |
47.04 |
|
O1(308).png) |
S(308) |
[O]OC1OC(O[O])O1 |
122.03 |
|
309. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.62
|
101.17
|
29.95 |
40.92 |
49.68 |
52.21 |
|
.png) |
S(309) |
[O]O[CH]OOOC=O |
122.03 |
|
310. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-71.45
|
103.34
|
26.47 |
35.45 |
48.49 |
51.11 |
|
OOC=O(310).png) |
S(310) |
[O]OC([O])OOC=O |
122.03 |
|
311. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-129.98
|
96.31
|
24.35 |
39.53 |
51.11 |
54.48 |
|
.png) |
S(311) |
O=COOOOC=O |
122.03 |
|
312. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
109.01
|
22.67
|
9.33 |
10.62 |
12.98 |
14.44 |
|
X(312).png) |
CH2X(312) |
[CH2].[Pt] |
14.03 |
|
313. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-41.02
|
63.08
|
13.11 |
18.32 |
24.98 |
28.04 |
|
.png) |
S(313) |
O=C1CO1 |
58.04 |
|
314. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-5.03
|
74.15
|
17.54 |
24.67 |
35.32 |
40.48 |
|
.png) |
S(314) |
CCO[O] |
61.06 |
|
315. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-12.36
|
57.94
|
11.46 |
17.85 |
27.15 |
31.75 |
|
.png) |
C2H4O(315) |
C1CO1 |
44.05 |
|
316. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-6.55
|
73.92
|
19.63 |
25.84 |
34.90 |
42.04 |
|
.png) |
S(316) |
[O]OC1CO1 |
75.04 |
|
317. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
98.84
|
10.98
|
6.67 |
8.19 |
10.24 |
11.34 |
|
.png) |
CHX(317) |
[CH][Pt] |
13.02 |
|
318. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
100.03
|
24.11
|
9.58 |
10.91 |
12.96 |
14.30 |
|
X(318).png) |
CH2X(318) |
[CH2].[Pt] |
14.03 |
|
319. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
142.07
|
43.71
|
7.06 |
6.85 |
7.13 |
7.58 |
|
.png) |
CH(319) |
[CH] |
13.02 |
|
320. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
11.18
|
70.35
|
16.85 |
21.51 |
25.58 |
27.06 |
|
.png) |
S(320) |
[CH2]O[C]=O |
58.04 |
|
321. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
1.17
|
72.78
|
13.77 |
18.10 |
26.16 |
29.09 |
|
=O(321).png) |
S(321) |
[CH2]C([O])=O |
58.04 |
|
322. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
45.88
|
67.03
|
15.43 |
20.37 |
27.16 |
30.64 |
|
.png) |
C2H4O(322) |
[CH2]O[CH2] |
44.05 |
|
323. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.00
|
69.94
|
13.86 |
18.20 |
26.77 |
30.95 |
|
.png) |
C2H4O(323) |
[CH2]C[O] |
44.05 |
|
324. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.16
|
79.03
|
19.77 |
26.35 |
35.69 |
40.09 |
|
.png) |
S(324) |
[CH2]COO |
61.06 |
|
325. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-5.95
|
69.42
|
16.76 |
21.96 |
30.34 |
34.75 |
|
.png) |
C2H5O(325) |
[CH2]CO |
45.06 |
|
326. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
54.85
|
83.49
|
23.19 |
28.23 |
34.09 |
36.95 |
|
.png) |
S(326) |
[CH2]O[CH]O[O] |
75.04 |
|
327. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
53.62
|
89.33
|
20.79 |
25.52 |
33.58 |
36.87 |
|
O[O](327).png) |
S(327) |
[CH2]C([O])O[O] |
75.04 |
|
328. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
115.64
|
63.65
|
11.15 |
12.01 |
13.15 |
14.16 |
|
.png) |
CHO2(328) |
[CH]O[O] |
45.02 |
|
329. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-1.74
|
52.37
|
11.35 |
18.70 |
21.87 |
25.71 |
|
.png) |
C1OO1(329) |
C1OO1 |
46.03 |
|
330. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
72.42
|
30.92
|
10.75 |
13.36 |
16.27 |
17.93 |
|
.png) |
CHO2X(330) |
[O]O[CH][Pt] |
45.02 |
|
331. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
58.68
|
39.96
|
12.58 |
15.38 |
19.71 |
22.57 |
|
.png) |
SX(331) |
[CH2]O[O].[Pt] |
46.03 |
|
332. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
68.24
|
82.82
|
17.70 |
23.77 |
29.54 |
32.74 |
|
.png) |
CH2O4(332) |
[CH2]OOO[O] |
78.02 |
|
333. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.66
|
76.08
|
20.94 |
26.89 |
31.43 |
33.44 |
|
.png) |
CH2O4(333) |
[O]OCO[O] |
78.02 |
|
334. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
17.07
|
80.01
|
18.82 |
23.64 |
30.06 |
32.84 |
|
.png) |
S(334) |
[O]OC[C]=O |
74.04 |
|
335. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.65
|
80.41
|
23.15 |
31.46 |
37.65 |
40.42 |
|
.png) |
S(335) |
[O]OCO[C]=O |
90.03 |
|
336. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.88
|
83.10
|
22.53 |
31.90 |
39.92 |
42.64 |
|
.png) |
S(336) |
[CH2]OOO[C]=O |
90.03 |
|
337. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-29.13
|
84.01
|
20.92 |
26.83 |
36.54 |
40.04 |
|
=O(337).png) |
S(337) |
[O]OCC([O])=O |
90.03 |
|
338. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-41.32
|
80.46
|
22.07 |
31.17 |
39.45 |
41.88 |
|
=O(338).png) |
S(338) |
[CH2]OOC([O])=O |
90.03 |
|
339. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
32.79
|
91.51
|
24.51 |
34.81 |
47.18 |
52.45 |
|
.png) |
S(339) |
[CH2]OOOOC |
93.06 |
|
340. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-22.79
|
86.15
|
27.61 |
38.15 |
48.75 |
53.33 |
|
.png) |
S(340) |
COOCO[O] |
93.06 |
|
341. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
9.34
|
79.88
|
23.05 |
31.49 |
38.48 |
42.22 |
|
.png) |
S(341) |
[CH2]OCO[O] |
76.05 |
|
342. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
70.34
|
79.97
|
21.98 |
29.93 |
39.92 |
43.84 |
|
.png) |
S(342) |
[CH2]OOO[CH2] |
76.05 |
|
343. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.27
|
85.45
|
21.56 |
26.75 |
37.04 |
41.82 |
|
.png) |
S(343) |
[O]CCO[O] |
76.05 |
|
344. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
23.68
|
78.88
|
22.11 |
30.41 |
41.14 |
44.56 |
|
.png) |
S(344) |
[CH2]OOC[O] |
76.05 |
|
345. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-12.65
|
85.11
|
29.34 |
40.86 |
51.04 |
54.80 |
|
.png) |
S(345) |
[CH2]OOCOO |
93.06 |
|
346. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-21.46
|
89.70
|
29.44 |
37.11 |
46.58 |
51.17 |
|
.png) |
S(346) |
[O]OCCOO |
93.06 |
|
347. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
32.14
|
82.60
|
19.72 |
27.30 |
34.49 |
37.82 |
|
.png) |
CH3O4(347) |
[CH2]OOOO |
79.03 |
|
348. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-35.56
|
78.29
|
23.20 |
32.31 |
41.65 |
46.56 |
|
.png) |
S(348) |
COCO[O] |
77.06 |
|
349. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.43
|
78.69
|
24.79 |
35.07 |
44.07 |
48.17 |
|
.png) |
S(349) |
[CH2]OOCO |
77.06 |
|
350. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-41.48
|
84.54
|
23.52 |
30.15 |
40.34 |
45.61 |
|
.png) |
S(350) |
[O]OCCO |
77.06 |
|
351. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.47
|
94.57
|
31.00 |
39.76 |
45.51 |
48.46 |
|
.png) |
S(351) |
[O]O[CH]OCO[O] |
107.04 |
|
352. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
77.96
|
98.39
|
29.92 |
38.25 |
46.29 |
49.44 |
|
.png) |
S(352) |
[CH2]OOO[CH]O[O] |
107.04 |
|
353. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
18.86
|
102.35
|
27.86 |
33.69 |
43.67 |
47.54 |
|
O[O](353).png) |
S(353) |
[O]OCC([O])O[O] |
107.04 |
|
354. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
32.98
|
100.51
|
26.97 |
32.29 |
45.29 |
48.39 |
|
O[O](354).png) |
S(354) |
[CH2]OOC([O])O[O] |
107.04 |
|
355. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-25.40
|
93.53
|
24.34 |
36.78 |
47.81 |
51.65 |
|
.png) |
S(355) |
[CH2]OOOOC=O |
107.04 |
|
356. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-80.98
|
88.16
|
27.44 |
40.12 |
49.39 |
52.53 |
|
.png) |
S(356) |
[O]OCOOC=O |
107.04 |
|
357. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
48.72
|
79.72
|
17.66 |
22.85 |
30.61 |
35.02 |
|
.png) |
S(357) |
[CH2]CO[O] |
60.05 |
|
358. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
79.19
|
90.75
|
24.34 |
34.03 |
44.51 |
48.82 |
|
.png) |
S(358) |
[CH2]OOOO[CH2] |
92.05 |
|
359. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
23.45
|
85.33
|
27.32 |
37.33 |
46.08 |
49.73 |
|
.png) |
S(359) |
[CH2]OOCO[O] |
92.05 |
|
360. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
12.40
|
89.80
|
26.04 |
32.41 |
42.35 |
47.17 |
|
.png) |
S(360) |
[O]OCCO[O] |
92.05 |
|
361. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-26.03
|
39.40
|
14.08 |
20.56 |
31.82 |
37.36 |
|
.png) |
C2H6X(361) |
CC.[Pt] |
30.07 |
|
362. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-45.04
|
73.50
|
18.81 |
26.00 |
38.71 |
44.93 |
|
.png) |
C3H6O(362) |
CCC=O |
58.08 |
|
363. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-51.98
|
70.90
|
17.50 |
25.44 |
38.37 |
44.72 |
|
.png) |
C3H6O(363) |
CC(C)=O |
58.08 |
|
364. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-93.45
|
77.80
|
21.04 |
30.69 |
45.76 |
51.98 |
|
.png) |
S(364) |
CCOC=O |
74.08 |
|
365. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-97.99
|
77.72
|
19.75 |
28.92 |
44.56 |
51.42 |
|
=O(365).png) |
S(365) |
COC(C)=O |
74.08 |
|
366. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-107.88
|
78.22
|
22.07 |
30.97 |
45.39 |
51.78 |
|
O(366).png) |
S(366) |
CCC(=O)O |
74.08 |
|
367. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-25.20
|
66.07
|
17.75 |
26.60 |
41.20 |
48.82 |
|
.png) |
C3H8(367) |
CCC |
44.10 |
|
368. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
84.83
|
59.11
|
11.01 |
15.04 |
21.88 |
25.58 |
|
(368).png) |
C2H4(368) |
[CH]C |
28.05 |
|
369. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
79.05
|
57.01
|
13.23 |
17.15 |
23.14 |
26.52 |
|
(369).png) |
C2H4(369) |
[CH2][CH2] |
28.05 |
|
370. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
34.62
|
28.95
|
10.94 |
16.29 |
24.84 |
31.08 |
|
.png) |
C2H4X(370) |
[CH2]C[Pt] |
28.05 |
|
371. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
43.72
|
25.68
|
11.50 |
17.00 |
25.62 |
29.94 |
|
.png) |
C2H4X(371) |
C[CH][Pt] |
28.05 |
|
372. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
35.33
|
36.66
|
13.56 |
19.01 |
28.04 |
32.74 |
|
.png) |
C2H5X(372) |
[CH2]C.[Pt] |
29.06 |
|
373. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.62
|
75.41
|
19.29 |
25.51 |
35.54 |
40.57 |
|
.png) |
C3H5O(373) |
[CH2]CC=O |
57.07 |
|
374. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-6.92
|
74.68
|
17.70 |
24.03 |
34.88 |
40.16 |
|
.png) |
C3H5O(374) |
CC[C]=O |
57.07 |
|
375. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-42.78
|
80.06
|
21.23 |
29.72 |
42.37 |
47.40 |
|
.png) |
S(375) |
[CH2]COC=O |
73.07 |
|
376. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-57.21
|
80.48
|
22.16 |
30.08 |
41.88 |
47.16 |
|
O(376).png) |
S(376) |
[CH2]CC(=O)O |
73.07 |
|
377. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-46.06
|
78.35
|
21.48 |
29.75 |
41.13 |
46.25 |
|
.png) |
S(377) |
CCO[C]=O |
73.07 |
|
378. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-54.13
|
77.75
|
19.98 |
27.74 |
41.87 |
48.14 |
|
=O(378).png) |
S(378) |
CCC([O])=O |
73.07 |
|
379. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-39.45
|
82.50
|
25.97 |
36.66 |
53.54 |
60.94 |
|
.png) |
CCOOC(379) |
CCOOC |
76.09 |
|
380. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-7.29
|
76.06
|
21.38 |
29.69 |
43.03 |
49.45 |
|
.png) |
C3H7O(380) |
[CH2]OCC |
59.09 |
|
381. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-8.07
|
75.66
|
20.73 |
29.62 |
43.38 |
50.12 |
|
.png) |
C3H7O(381) |
CCC[O] |
59.09 |
|
382. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-43.31
|
84.19
|
25.63 |
35.99 |
51.58 |
58.92 |
|
.png) |
S(382) |
CCCOO |
76.09 |
|
383. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-51.94
|
73.52
|
22.39 |
31.18 |
46.12 |
53.73 |
|
.png) |
EME(383) |
CCOC |
60.10 |
|
384. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-61.28
|
76.31
|
20.81 |
30.53 |
45.79 |
53.44 |
|
.png) |
C3H8O(384) |
CCCO |
60.10 |
|
385. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
1.81
|
90.93
|
29.42 |
38.23 |
50.22 |
56.03 |
|
.png) |
S(385) |
CCO[CH]O[O] |
90.08 |
|
386. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-2.46
|
94.40
|
26.48 |
35.12 |
49.48 |
55.80 |
|
O[O](386).png) |
S(386) |
CCC([O])O[O] |
90.08 |
|
387. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-97.64
|
84.52
|
25.88 |
38.55 |
54.20 |
60.06 |
|
.png) |
S(387) |
CCOOC=O |
90.08 |
|
388. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
24.27
|
69.30
|
17.34 |
25.19 |
37.69 |
44.27 |
|
.png) |
C3H7(388) |
[CH2]CC |
43.09 |
|
389. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.79
|
81.69
|
25.69 |
35.83 |
50.89 |
57.25 |
|
.png) |
S(389) |
[CH2]OOCC |
75.09 |
|
390. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-9.76
|
83.49
|
22.95 |
32.85 |
47.67 |
54.66 |
|
.png) |
S(390) |
CCCO[O] |
75.09 |
|
391. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.04
|
73.69
|
23.91 |
35.07 |
53.74 |
63.01 |
|
.png) |
C4H10(391) |
CCCC |
58.12 |
|
393. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
4.34
|
7.56
|
10.42 |
15.62 |
22.31 |
25.62 |
|
.png) |
C2H3X(393) |
C=C[Pt] |
27.05 |
|
394. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.29
|
19.19
|
10.90 |
16.34 |
24.19 |
28.22 |
|
.png) |
C2H4X(394) |
C=C.[Pt] |
28.05 |
|
395. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-18.76
|
28.80
|
17.61 |
26.74 |
40.82 |
47.95 |
|
.png) |
C3H7X(395) |
CCC[Pt] |
43.09 |
|
396. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-48.98
|
36.31
|
15.44 |
22.89 |
33.22 |
38.43 |
|
.png) |
SX(396) |
OCC[Pt] |
45.06 |
|
397. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-15.51
|
65.35
|
16.86 |
23.42 |
32.98 |
37.27 |
|
.png) |
C3H4O(397) |
C=CC=O |
56.06 |
|
398. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-66.38
|
72.64
|
20.84 |
29.51 |
39.23 |
43.06 |
|
.png) |
S(398) |
C=COC=O |
72.06 |
|
399. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-56.62
|
80.35
|
19.81 |
25.79 |
35.65 |
39.85 |
|
O(399).png) |
S(399) |
C=CC(=O)O |
72.06 |
|
400. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-3.46
|
80.01
|
20.24 |
26.65 |
38.52 |
43.41 |
|
=O(400).png) |
S(400) |
[CH2]CC([O])=O |
72.06 |
|
401. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
4.61
|
80.61
|
21.67 |
28.78 |
37.75 |
41.66 |
|
.png) |
S(401) |
[CH2]CO[C]=O |
72.06 |
|
402. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
11.71
|
86.85
|
25.72 |
35.41 |
49.79 |
56.25 |
|
.png) |
S(402) |
[CH2]COOC |
75.09 |
|
403. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
41.47
|
80.63
|
18.08 |
25.30 |
38.76 |
45.05 |
|
.png) |
C3H6O(403) |
[CH2]CC[O] |
58.08 |
|
404. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
43.45
|
78.00
|
21.70 |
28.66 |
39.02 |
44.81 |
|
.png) |
C3H6O(404) |
[CH2]CO[CH2] |
58.08 |
|
405. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-18.98
|
65.61
|
15.23 |
25.06 |
39.64 |
46.61 |
|
.png) |
C3H6O(405) |
C1COC1 |
58.08 |
|
406. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.81
|
88.51
|
25.17 |
34.70 |
48.15 |
54.45 |
|
.png) |
S(406) |
[CH2]CCOO |
75.09 |
|
407. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-30.60
|
46.77
|
19.30 |
27.72 |
38.69 |
43.84 |
|
.png) |
SX(407) |
OOCC[Pt] |
61.06 |
|
408. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-1.32
|
77.59
|
21.10 |
29.20 |
42.58 |
49.19 |
|
.png) |
C3H7O(408) |
[CH2]COC |
59.09 |
|
409. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-99.77
|
38.42
|
22.89 |
32.01 |
45.39 |
50.91 |
|
CC[Pt](409).png) |
SX(409) |
O=C(O)CC[Pt] |
73.07 |
|
410. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-11.54
|
79.48
|
21.89 |
30.05 |
42.73 |
48.97 |
|
.png) |
C3H7O(410) |
[CH2]CCO |
59.09 |
|
411. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
46.53
|
97.82
|
25.71 |
33.21 |
45.79 |
51.13 |
|
O[O](411).png) |
S(411) |
[CH2]CC([O])O[O] |
89.07 |
|
412. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
52.48
|
93.19
|
29.61 |
37.25 |
46.84 |
51.43 |
|
.png) |
S(412) |
[CH2]CO[CH]O[O] |
89.07 |
|
413. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-13.22
|
80.72
|
22.88 |
32.78 |
46.93 |
56.62 |
|
.png) |
S(413) |
[O]OC1CCO1 |
89.07 |
|
414. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-46.48
|
88.87
|
25.63 |
37.23 |
50.60 |
55.38 |
|
.png) |
S(414) |
[CH2]COOC=O |
89.07 |
|
415. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
13.02
|
56.67
|
13.42 |
22.17 |
34.61 |
41.05 |
|
.png) |
cC3H6(415) |
C1CC1 |
42.08 |
|
416. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
4.61
|
63.63
|
15.37 |
22.48 |
34.13 |
40.15 |
|
.png) |
C3H6(416) |
C=CC |
42.08 |
|
417. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
72.79
|
72.90
|
16.21 |
22.80 |
33.80 |
39.49 |
|
.png) |
C3H6(417) |
[CH2]C[CH2] |
42.08 |
|
418. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
41.79
|
87.83
|
22.79 |
30.65 |
42.73 |
49.25 |
|
.png) |
S(418) |
[CH2]CCO[O] |
74.08 |
|
419. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
57.94
|
86.04
|
25.44 |
34.55 |
47.17 |
52.63 |
|
.png) |
S(419) |
[CH2]COO[CH2] |
74.08 |
|
420. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
19.32
|
78.54
|
22.95 |
33.49 |
50.14 |
58.50 |
|
.png) |
C4H9(420) |
[CH2]CCC |
57.11 |
|
421. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
67.96
|
80.53
|
22.36 |
31.33 |
46.23 |
53.79 |
|
.png) |
C4H8(421) |
[CH2]CC[CH2] |
56.11 |
|
422. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
6.48
|
63.35
|
17.44 |
29.60 |
47.60 |
56.35 |
|
.png) |
C4H8(422) |
C1CCC1 |
56.11 |
|
423. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
94.10
|
60.42
|
12.49 |
16.03 |
21.92 |
24.61 |
|
.png) |
C2H3X(423) |
[CH]C[Pt] |
27.05 |
|
424. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
85.93
|
82.81
|
15.59 |
18.63 |
24.53 |
27.53 |
|
X(424).png) |
C2H4X(424) |
[CH]C.[Pt] |
28.05 |
|
425. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
63.25
|
73.87
|
17.16 |
22.86 |
32.17 |
36.23 |
|
.png) |
C3H4O(425) |
[CH]CC=O |
56.06 |
|
426. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-52.92
|
72.98
|
18.27 |
26.22 |
38.51 |
43.93 |
|
.png) |
S(426) |
CC1OC1=O |
72.06 |
|
427. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
14.42
|
79.25
|
20.22 |
27.44 |
38.50 |
42.67 |
|
.png) |
S(427) |
[CH]COC=O |
72.06 |
|
428. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
0.20
|
79.46
|
20.34 |
27.51 |
38.33 |
42.53 |
|
O(428).png) |
S(428) |
[CH]CC(=O)O |
72.06 |
|
429. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-22.25
|
68.53
|
17.37 |
26.21 |
39.39 |
45.85 |
|
.png) |
C3H6O(429) |
CC1CO1 |
58.08 |
|
430. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
-14.55
|
80.71
|
25.09 |
34.41 |
47.56 |
56.37 |
|
.png) |
S(430) |
CC1OC1O[O] |
89.07 |
|
431. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
82.54
|
67.33
|
17.12 |
23.59 |
34.70 |
39.92 |
|
.png) |
C3H6(431) |
[CH]CC |
42.08 |
|
432. |
| H298 |
S298 |
Cp300 |
Cp500 |
Cp1000 |
Cp1500 |
|
5.57
|
67.01
|
18.53 |
30.34 |
47.04 |
55.53 |
|
.png) |
C4H8(432) |
CC1CC1 |
56.11 |